5-[(3-carboxy-4-methylphenyl)methyl]-2-methylbenzoic acid;4-(3,4-dimethylphenyl)-1,2-dimethylbenzene;1-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]-4-methylbenzene;5-(3-hydroxy-4-methylphenyl)-2-methylphenol;1-methyl-3-(4-methylphenoxy)benzene;1-methyl-4-(4-methylphenoxy)benzene;1-methyl-4-[(4-methylphenyl)methyl]benzene;1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene;1-methyl-4-(4-methylphenyl)sulfanylbenzene;1-methyl-4-(4-methylphenyl)sulfonylbenzene;1,2,3-trimethyl-5-(3,4,5-trimethylphenyl)benzene;1,3-xylene;1,4-xylene

C186H196F6O10S2 — CID 162131961

About 5-[(3-carboxy-4-methylphenyl)methyl]-2-methylbenzoic acid;4-(3,4-dimethylphenyl)-1,2-dimethylbenzene;1-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]-4-methylbenzene;5-(3-hydroxy-4-methylphenyl)-2-methylphenol;1-methyl-3-(4-methylphenoxy)benzene;1-methyl-4-(4-methylphenoxy)benzene;1-methyl-4-[(4-methylphenyl)methyl]benzene;1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene;1-methyl-4-(4-methylphenyl)sulfanylbenzene;1-methyl-4-(4-methylphenyl)sulfonylbenzene;1,2,3-trimethyl-5-(3,4,5-trimethylphenyl)benzene;1,3-xylene;1,4-xylene

5-[(3-carboxy-4-methylphenyl)methyl]-2-methylbenzoic acid;4-(3,4-dimethylphenyl)-1,2-dimethylbenzene;1-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]-4-methylbenzene;5-(3-hydroxy-4-methylphenyl)-2-methylphenol;1-methyl-3-(4-methylphenoxy)benzene;1-methyl-4-(4-methylphenoxy)benzene;1-methyl-4-[(4-methylphenyl)methyl]benzene;1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene;1-methyl-4-(4-methylphenyl)sulfanylbenzene;1-methyl-4-(4-methylphenyl)sulfonylbenzene;1,2,3-trimethyl-5-(3,4,5-trimethylphenyl)benzene;1,3-xylene;1,4-xylene (PubChem CID 162131961) has the molecular formula C186H196F6O10S2 and a molecular weight of 2769.73 g/mol. Its IUPAC name is 5-[(3-carboxy-4-methylphenyl)methyl]-2-methylbenzoic acid;4-(3,4-dimethylphenyl)-1,2-dimethylbenzene;1-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]-4-methylbenzene;5-(3-hydroxy-4-methylphenyl)-2-methylphenol;1-methyl-3-(4-methylphenoxy)benzene;1-methyl-4-(4-methylphenoxy)benzene;1-methyl-4-[(4-methylphenyl)methyl]benzene;1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene;1-methyl-4-(4-methylphenyl)sulfanylbenzene;1-methyl-4-(4-methylphenyl)sulfonylbenzene;1,2,3-trimethyl-5-(3,4,5-trimethylphenyl)benzene;1,3-xylene;1,4-xylene.

Molecular Properties

• Compound Name: 5-[(3-carboxy-4-methylphenyl)methyl]-2-methylbenzoic acid;4-(3,4-dimethylphenyl)-1,2-dimethylbenzene;1-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]-4-methylbenzene;5-(3-hydroxy-4-methylphenyl)-2-methylphenol;1-methyl-3-(4-methylphenoxy)benzene;1-methyl-4-(4-methylphenoxy)benzene;1-methyl-4-[(4-methylphenyl)methyl]benzene;1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene;1-methyl-4-(4-methylphenyl)sulfanylbenzene;1-methyl-4-(4-methylphenyl)sulfonylbenzene;1,2,3-trimethyl-5-(3,4,5-trimethylphenyl)benzene;1,3-xylene;1,4-xylene
• PubChem CID: 162131961
• Molecular Formula: C186H196F6O10S2
• Molecular Weight: 2769.73 g/mol
• Exact Mass: 2767.42
• IUPAC Name: 5-[(3-carboxy-4-methylphenyl)methyl]-2-methylbenzoic acid;4-(3,4-dimethylphenyl)-1,2-dimethylbenzene;1-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]-4-methylbenzene;5-(3-hydroxy-4-methylphenyl)-2-methylphenol;1-methyl-3-(4-methylphenoxy)benzene;1-methyl-4-(4-methylphenoxy)benzene;1-methyl-4-[(4-methylphenyl)methyl]benzene;1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene;1-methyl-4-(4-methylphenyl)sulfanylbenzene;1-methyl-4-(4-methylphenyl)sulfonylbenzene;1,2,3-trimethyl-5-(3,4,5-trimethylphenyl)benzene;1,3-xylene;1,4-xylene
• SMILES: Cc1cc(-c2cc(C)c(C)c(C)c2)cc(C)c1C.Cc1ccc(-c2ccc(C)c(C)c2)cc1C.Cc1ccc(-c2ccc(C)c(O)c2)cc1O.Cc1ccc(C(C)(C)c2ccc(C)cc2)cc1.Cc1ccc(C(c2ccc(C)cc2)(C(F)(F)F)C(F)(F)F)cc1.Cc1ccc(C)cc1.Cc1ccc(Cc2ccc(C)c(C(=O)O)c2)cc1C(=O)O.Cc1ccc(Cc2ccc(C)cc2)cc1.Cc1ccc(Oc2ccc(C)cc2)cc1.Cc1ccc(Oc2cccc(C)c2)cc1.Cc1ccc(S(=O)(=O)c2ccc(C)cc2)cc1.Cc1ccc(Sc2ccc(C)cc2)cc1.Cc1cccc(C)c1
• InChI: InChI=1S/C18H22.C17H14F6.C17H16O4.C17H20.C16H18.C15H16.C14H14O2S.C14H14O2.2C14H14O.C14H14S.2C8H10/c1-11-7-17(8-12(2)15(11)5)18-9-13(3)16(6)14(4)10-18;1-11-3-7-13(8-4-11)15(16(18,19)20,17(21,22)23)14-9-5-12(2)6-10-14;1-10-3-5-12(8-14(10)16(18)19)7-13-6-4-11(2)15(9-13)17(20)21;1-13-5-9-15(10-6-13)17(3,4)16-11-7-14(2)8-12-16;1-11-5-7-15(9-13(11)3)16-8-6-12(2)14(4)10-16;1-12-3-7-14(8-4-12)11-15-9-5-13(2)6-10-15;1-11-3-7-13(8-4-11)17(15,16)14-9-5-12(2)6-10-14;1-9-3-5-11(7-13(9)15)12-6-4-10(2)14(16)8-12;1-11-3-7-13(8-4-11)15-14-9-5-12(2)6-10-14;1-11-6-8-13(9-7-11)15-14-5-3-4-12(2)10-14;1-11-3-7-13(8-4-11)15-14-9-5-12(2)6-10-14;1-7-3-5-8(2)6-4-7;1-7-4-3-5-8(2)6-7/h7-10H,1-6H3;3-10H,1-2H3;3-6,8-9H,7H2,1-2H3,(H,18,19)(H,20,21);5-12H,1-4H3;5-10H,1-4H3;3-10H,11H2,1-2H3;3-10H,1-2H3;3-8,15-16H,1-2H3;3*3-10H,1-2H3;2*3-6H,1-2H3
• InChIKey: ZITWQMYHKSFUKX-UHFFFAOYSA-N
• XLogP: 51.09
• TPSA: 167.66 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 9
• Rotatable Bonds: 21
• Heavy Atoms: 204
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2769.73
LogP ≤ 5	51.09
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 5-[(3-carboxy-4-methylphenyl)methyl]-2-methylbenzoic acid;4-(3,4-dimethylphenyl)-1,2-dimethylbenzene;1-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]-4-methylbenzene;5-(3-hydroxy-4-methylphenyl)-2-methylphenol;1-methyl-3-(4-methylphenoxy)benzene;1-methyl-4-(4-methylphenoxy)benzene;1-methyl-4-[(4-methylphenyl)methyl]benzene;1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene;1-methyl-4-(4-methylphenyl)sulfanylbenzene;1-methyl-4-(4-methylphenyl)sulfonylbenzene;1,2,3-trimethyl-5-(3,4,5-trimethylphenyl)benzene;1,3-xylene;1,4-xylene?

The IUPAC name of 5-[(3-carboxy-4-methylphenyl)methyl]-2-methylbenzoic acid;4-(3,4-dimethylphenyl)-1,2-dimethylbenzene;1-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]-4-methylbenzene;5-(3-hydroxy-4-methylphenyl)-2-methylphenol;1-methyl-3-(4-methylphenoxy)benzene;1-methyl-4-(4-methylphenoxy)benzene;1-methyl-4-[(4-methylphenyl)methyl]benzene;1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene;1-methyl-4-(4-methylphenyl)sulfanylbenzene;1-methyl-4-(4-methylphenyl)sulfonylbenzene;1,2,3-trimethyl-5-(3,4,5-trimethylphenyl)benzene;1,3-xylene;1,4-xylene (CID 162131961) is 5-[(3-carboxy-4-methylphenyl)methyl]-2-methylbenzoic acid;4-(3,4-dimethylphenyl)-1,2-dimethylbenzene;1-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]-4-methylbenzene;5-(3-hydroxy-4-methylphenyl)-2-methylphenol;1-methyl-3-(4-methylphenoxy)benzene;1-methyl-4-(4-methylphenoxy)benzene;1-methyl-4-[(4-methylphenyl)methyl]benzene;1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene;1-methyl-4-(4-methylphenyl)sulfanylbenzene;1-methyl-4-(4-methylphenyl)sulfonylbenzene;1,2,3-trimethyl-5-(3,4,5-trimethylphenyl)benzene;1,3-xylene;1,4-xylene.

What is the SMILES notation for 5-[(3-carboxy-4-methylphenyl)methyl]-2-methylbenzoic acid;4-(3,4-dimethylphenyl)-1,2-dimethylbenzene;1-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]-4-methylbenzene;5-(3-hydroxy-4-methylphenyl)-2-methylphenol;1-methyl-3-(4-methylphenoxy)benzene;1-methyl-4-(4-methylphenoxy)benzene;1-methyl-4-[(4-methylphenyl)methyl]benzene;1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene;1-methyl-4-(4-methylphenyl)sulfanylbenzene;1-methyl-4-(4-methylphenyl)sulfonylbenzene;1,2,3-trimethyl-5-(3,4,5-trimethylphenyl)benzene;1,3-xylene;1,4-xylene?

The canonical SMILES for 5-[(3-carboxy-4-methylphenyl)methyl]-2-methylbenzoic acid;4-(3,4-dimethylphenyl)-1,2-dimethylbenzene;1-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]-4-methylbenzene;5-(3-hydroxy-4-methylphenyl)-2-methylphenol;1-methyl-3-(4-methylphenoxy)benzene;1-methyl-4-(4-methylphenoxy)benzene;1-methyl-4-[(4-methylphenyl)methyl]benzene;1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene;1-methyl-4-(4-methylphenyl)sulfanylbenzene;1-methyl-4-(4-methylphenyl)sulfonylbenzene;1,2,3-trimethyl-5-(3,4,5-trimethylphenyl)benzene;1,3-xylene;1,4-xylene is Cc1cc(-c2cc(C)c(C)c(C)c2)cc(C)c1C.Cc1ccc(-c2ccc(C)c(C)c2)cc1C.Cc1ccc(-c2ccc(C)c(O)c2)cc1O.Cc1ccc(C(C)(C)c2ccc(C)cc2)cc1.Cc1ccc(C(c2ccc(C)cc2)(C(F)(F)F)C(F)(F)F)cc1.Cc1ccc(C)cc1.Cc1ccc(Cc2ccc(C)c(C(=O)O)c2)cc1C(=O)O.Cc1ccc(Cc2ccc(C)cc2)cc1.Cc1ccc(Oc2ccc(C)cc2)cc1.Cc1ccc(Oc2cccc(C)c2)cc1.Cc1ccc(S(=O)(=O)c2ccc(C)cc2)cc1.Cc1ccc(Sc2ccc(C)cc2)cc1.Cc1cccc(C)c1.

What is the InChIKey of 5-[(3-carboxy-4-methylphenyl)methyl]-2-methylbenzoic acid;4-(3,4-dimethylphenyl)-1,2-dimethylbenzene;1-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]-4-methylbenzene;5-(3-hydroxy-4-methylphenyl)-2-methylphenol;1-methyl-3-(4-methylphenoxy)benzene;1-methyl-4-(4-methylphenoxy)benzene;1-methyl-4-[(4-methylphenyl)methyl]benzene;1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene;1-methyl-4-(4-methylphenyl)sulfanylbenzene;1-methyl-4-(4-methylphenyl)sulfonylbenzene;1,2,3-trimethyl-5-(3,4,5-trimethylphenyl)benzene;1,3-xylene;1,4-xylene?

The InChIKey is ZITWQMYHKSFUKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22.C17H14F6.C17H16O4.C17H20.C16H18.C15H16.C14H14O2S.C14H14O2.2C14H14O.C14H14S.2C8H10/c1-11-7-17(8-12(2)15(11)5)18-9-13(3)16(6)14(4)10-18;1-11-3-7-13(8-4-11)15(16(18,19)20,17(21,22)23)14-9-5-12(2)6-10-14;1-10-3-5-12(8-14(10)16(18)19)7-13-6-4-11(2)15(9-13)17(20)21;1-13-5-9-15(10-6-13)17(3,4)16-11-7-14(2)8-12-16;1-11-5-7-15(9-13(11)3)16-8-6-12(2)14(4)10-16;1-12-3-7-14(8-4-12)11-15-9-5-13(2)6-10-15;1-11-3-7-13(8-4-11)17(15,16)14-9-5-12(2)6-10-14;1-9-3-5-11(7-13(9)15)12-6-4-10(2)14(16)8-12;1-11-3-7-13(8-4-11)15-14-9-5-12(2)6-10-14;1-11-6-8-13(9-7-11)15-14-5-3-4-12(2)10-14;1-11-3-7-13(8-4-11)15-14-9-5-12(2)6-10-14;1-7-3-5-8(2)6-4-7;1-7-4-3-5-8(2)6-7/h7-10H,1-6H3;3-10H,1-2H3;3-6,8-9H,7H2,1-2H3,(H,18,19)(H,20,21);5-12H,1-4H3;5-10H,1-4H3;3-10H,11H2,1-2H3;3-10H,1-2H3;3-8,15-16H,1-2H3;3*3-10H,1-2H3;2*3-6H,1-2H3.

What are the key properties of 5-[(3-carboxy-4-methylphenyl)methyl]-2-methylbenzoic acid;4-(3,4-dimethylphenyl)-1,2-dimethylbenzene;1-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]-4-methylbenzene;5-(3-hydroxy-4-methylphenyl)-2-methylphenol;1-methyl-3-(4-methylphenoxy)benzene;1-methyl-4-(4-methylphenoxy)benzene;1-methyl-4-[(4-methylphenyl)methyl]benzene;1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene;1-methyl-4-(4-methylphenyl)sulfanylbenzene;1-methyl-4-(4-methylphenyl)sulfonylbenzene;1,2,3-trimethyl-5-(3,4,5-trimethylphenyl)benzene;1,3-xylene;1,4-xylene?

5-[(3-carboxy-4-methylphenyl)methyl]-2-methylbenzoic acid;4-(3,4-dimethylphenyl)-1,2-dimethylbenzene;1-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]-4-methylbenzene;5-(3-hydroxy-4-methylphenyl)-2-methylphenol;1-methyl-3-(4-methylphenoxy)benzene;1-methyl-4-(4-methylphenoxy)benzene;1-methyl-4-[(4-methylphenyl)methyl]benzene;1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene;1-methyl-4-(4-methylphenyl)sulfanylbenzene;1-methyl-4-(4-methylphenyl)sulfonylbenzene;1,2,3-trimethyl-5-(3,4,5-trimethylphenyl)benzene;1,3-xylene;1,4-xylene has a molecular weight of 2769.73 g/mol, XLogP of 51.09, 21 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(3-carboxy-4-methylphenyl)methyl]-2-methylbenzoic acid;4-(3,4-dimethylphenyl)-1,2-dimethylbenzene;1-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]-4-methylbenzene;5-(3-hydroxy-4-methylphenyl)-2-methylphenol;1-methyl-3-(4-methylphenoxy)benzene;1-methyl-4-(4-methylphenoxy)benzene;1-methyl-4-[(4-methylphenyl)methyl]benzene;1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene;1-methyl-4-(4-methylphenyl)sulfanylbenzene;1-methyl-4-(4-methylphenyl)sulfonylbenzene;1,2,3-trimethyl-5-(3,4,5-trimethylphenyl)benzene;1,3-xylene;1,4-xylene is sourced from PubChem (CID 162131961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).